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4,6(1H,5H)-pyrimidinedione, 5-[(1-cyclohexyl-2,5-dimethyl-1H-pyrrol-3-yl)methylene]dihydro-2-thioxo-
SpectraBase Compound ID 1ENtlnM95lM
InChI InChI=1S/C17H21N3O2S/c1-10-8-12(9-14-15(21)18-17(23)19-16(14)22)11(2)20(10)13-6-4-3-5-7-13/h8-9,13H,3-7H2,1-2H3,(H2,18,19,21,22,23)
InChIKey QWNRTVZJEMWYAC-UHFFFAOYSA-N
Mol Weight 331.43 g/mol
Molecular Formula C17H21N3O2S
Exact Mass 331.135448 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8AsnFapQkuN
Name 4,6(1H,5H)-pyrimidinedione, 5-[(1-cyclohexyl-2,5-dimethyl-1H-pyrrol-3-yl)methylene]dihydro-2-thioxo-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 331.135448100 u
Formula C17H21N3O2S
InChI InChI=1S/C17H21N3O2S/c1-10-8-12(9-14-15(21)18-17(23)19-16(14)22)11(2)20(10)13-6-4-3-5-7-13/h8-9,13H,3-7H2,1-2H3,(H2,18,19,21,22,23)
InChIKey QWNRTVZJEMWYAC-UHFFFAOYSA-N
Molecular Weight 331.434 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5291
Solvent DMSO-d6
Source Vendor ID: ZI/8142618; Lab Info: LD; Lab Number: LD-120939